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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SmAs2Au by Materials Project

SmAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.21 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are a spread of Au–As bond distances ranging from 2.81–2.84 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.65 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAs2Au by Materials Project

SmAuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.99 Å) and four longer (3.15 Å) Sm–As bond lengths. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing AuAs4 tetrahedra. All Au–As bond lengths are 2.81 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As3- atoms. All As–As bond lengths are 2.88 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAs2Au by Materials Project

SmAuAs2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.20 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are two shorter (2.80 Å) and two longer (2.82 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Au3+ atoms. In the second As3- site, As3- is bonded in a 7-coordinate geometry to four equivalent Sm3+ and three equivalent As3- atoms. There are one shorter (2.61 Å) and two longer (2.90 Å) As–As bond lengths.

36 MATERIALS SCIENCE↗